N-(4-bromanyl-3-methyl-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C16H18BrN3OS MolecularWeight: 380.30262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NC(=C(C(=N2)C)C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NC(=C(C(=N2)C)C)C)Br

InChI

InChI=1S/C16H18BrN3OS/c1-9-7-13(5-6-14(9)17)20-15(21)8-22-16-18-11(3)10(2)12(4)19-16/h5-7H,8H2,1-4H3,(H,20,21)